(phenylmethyl) 4-[[(1-oxidanidylpyridin-1-ium-4-yl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(1-oxidanidylpyridin-1-ium-4-yl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(1-oxidopyridin-1-ium-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c24-19(18-8-12-23(26)13-9-18)21-14-16-6-10-22(11-7-16)20(25)27-15-17-4-2-1-3-5-17/h1-5,8-9,12-13,16H,6-7,10-11,14-15H2,(H,21,24)